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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50160994'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))		BDBM50160994
PNG
(CHEMBL3794572)
Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C23H17N5O6/c1-34-23(31)15-5-2-6-16(10-15)24-22(30)19-12-17(8-9-21(19)29)27-13-20(25-26-27)14-4-3-7-18(11-14)28(32)33/h2-13,29H,1H3,(H,24,30)
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Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP

Bioorg Med Chem 24: 2114-24 (2016)


Article DOI: 10.1016/j.bmc.2016.03.042
BindingDB Entry DOI: 10.7270/Q2ZW1NST
More data for this
Ligand-Target Pair